N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C19H22BrN7O2 — CID 137097722

IUPACN'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESON/C(=N\c1cccc(Br)c1)c1ccnc2nc(NCCN3CCOCC3)[nH]c12
InChIInChI=1S/C19H22BrN7O2/c20-13-2-1-3-14(12-13)23-17(26-28)15-4-5-21-18-16(15)24-19(25-18)22-6-7-27-8-10-29-11-9-27/h1-5,12,28H,6-11H2,(H,23,26)(H2,21,22,24,25)
InChIKeyUHNSVANLPHIHQK-UHFFFAOYSA-N
MW460.34 g/mol
LogP2.52
Rot. Bonds6

About N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 137097722) has the molecular formula C19H22BrN7O2 and a molecular weight of 460.34 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID137097722
Molecular FormulaC19H22BrN7O2
Molecular Weight460.34 g/mol
Exact Mass459.10
IUPAC NameN'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESON/C(=N\c1cccc(Br)c1)c1ccnc2nc(NCCN3CCOCC3)[nH]c12
InChIInChI=1S/C19H22BrN7O2/c20-13-2-1-3-14(12-13)23-17(26-28)15-4-5-21-18-16(15)24-19(25-18)22-6-7-27-8-10-29-11-9-27/h1-5,12,28H,6-11H2,(H,23,26)(H2,21,22,24,25)
InChIKeyUHNSVANLPHIHQK-UHFFFAOYSA-N
XLogP2.52
TPSA110.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097832
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(2-methoxyethoxy)ethylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097874
methyl N-[2-[[7-[N'-(3-chloro-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]ethyl]carbamate
CID 137146059
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(1-oxothian-3-yl)methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 145190734
N'-(3-chloro-4-fluorophenyl)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6,7-difluoro-N-hydroxy-3H-benzimidazole-4-carboximidamide
CID 122687715
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3234098
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387
4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 57402733
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 137097722) is N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide is ON/C(=N\c1cccc(Br)c1)c1ccnc2nc(NCCN3CCOCC3)[nH]c12.
What is the InChIKey of N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is UHNSVANLPHIHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN7O2/c20-13-2-1-3-14(12-13)23-17(26-28)15-4-5-21-18-16(15)24-19(25-18)22-6-7-27-8-10-29-11-9-27/h1-5,12,28H,6-11H2,(H,23,26)(H2,21,22,24,25).
What are the key properties of N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 460.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-hydroxy-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 137097722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).